CID 16227519

2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid

Structural Information

Molecular Formula
C11H10N2O4
SMILES
C1C(=O)N(C(=O)N1)CC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C11H10N2O4/c14-9-5-12-11(17)13(9)6-7-3-1-2-4-8(7)10(15)16/h1-4H,5-6H2,(H,12,17)(H,15,16)
InChIKey
KYPSSWJAZFJBOT-UHFFFAOYSA-N
Compound name
2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 149.2
[M+Na]+ 257.05328 157.1
[M-H]- 233.05678 151.0
[M+NH4]+ 252.09788 164.5
[M+K]+ 273.02722 153.4
[M+H-H2O]+ 217.06132 141.9
[M+HCOO]- 279.06226 167.2
[M+CH3COO]- 293.07791 184.3
[M+Na-2H]- 255.03873 150.2
[M]+ 234.06351 146.7
[M]- 234.06461 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.